N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine

C13H16ClN3 — CID 10014979

IUPACN-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3/c1-17(2)8-7-16-12-5-6-15-13-9-10(14)3-4-11(12)13/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyYFSUTRPECZEFJM-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.86
Rot. Bonds4

About N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 10014979) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID10014979
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3/c1-17(2)8-7-16-12-5-6-15-13-9-10(14)3-4-11(12)13/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyYFSUTRPECZEFJM-UHFFFAOYSA-N
XLogP2.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 10014979) is N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YFSUTRPECZEFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-17(2)8-7-16-12-5-6-15-13-9-10(14)3-4-11(12)13/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 249.75 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 10014979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).